HRID109305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID985

Hexadecanoic acid

C16H32O2

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID66810238

chloromethyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

C25H28Cl3N3O4

PRODUCTS

产物

HCID58579198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7d148f07afee4c8f94aabbafb6e85070
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:54](=[O:55])([O-:56])[O-:57].[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][C:51]([OH:52])=[O:53].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]4[c:28]([cH:29]3)[N:27]([C:30](=[O:31])[O:32][CH2:33][Cl:34])[C:26](=[O:35])[CH2:25][CH2:24]4)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8].[Cs+:58].[Cs+:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]4[c:28]([cH:29]3)[N:27]([C:30](=[O:31])[O:32][CH2:33][O:53][C:51]([CH2:50][CH2:49][CH2:48][CH2:47][CH2:46][CH2:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH3:36])=[O:52])[C:26](=[O:35])[CH2:25][CH2:24]4)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8]